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Chemical ID: 4156215

Chemical ID:

4156215

Name [?]:

N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-ethylphenoxy)-acetamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)Nc2c(cc(cc2Cl)C)C

InChi [?]:

InChI=1/C18H20ClNO2/c1-4-14-5-7-15(8-6-14)22-11-17(21)20-18-13(3)9-12(2)10-16(18)19/h5-10H,4,11H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,22,2,4,8,5,7,16,18,10,17,15,3,6,19,11,14,20,13,12,9/E:(5,6)(7,8)/rA:22nCCCCCCCCOCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀ClNO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.39371
Area:	537.767
Solvation:	-4.05046
Coulombic:	-29.5526

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	317.81
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.86
LogP (Chemaxon):	3.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value